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  • 1
    Electronic Resource
    Electronic Resource
    Towards automated Laue data processing: application to the choice of optimal X-ray spectrum (2000)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 56 (2000), S. 973-985 
    Details
    ISSN: 1399-0047
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Laue data reduction has now reached a level of sophistication that allows nearly automated processing to be performed. The software described enables complete reduction of the data with essentially no user intervention, making Laue processing almost as straightforward as monochromatic data processing. Interactive work is limited to the indexing of only one Laue pattern. More importantly, it is shown that the data quality is substantially enhanced when soft-limited predictions are used. Further improvement obtained by taking advantage of the structure-factor amplitudes from a known closely related structure is described. To determine the most suitable type of insertion device to be used for time-resolved Laue crystallography, the technique described was applied to Laue data sets collected from photoactive yellow protein under identical conditions but with three different insertion devices: a wiggler, a broad-bandpass undulator and a single-line undulator. Although the optimal choice may ultimately be dictated by sample parameters (such as mosaic spread) and by the type of experiment (repeatable or non-repeatable reactions), the results here show that the use of single-line undulators will generally yield by far the best compromise between data quality, acquisition time and radiation damage.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0907444900006958
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  • 2
    Electronic Resource
    Electronic Resource
    Extraction of accurate structure-factor amplitudes from Laue data: wavelength normalization with wiggler and undulator X-ray sources (2000)
    Chester : International Union of Crystallography (IUCr)
    Journal of synchrotron radiation 7 (2000), S. 236-244 
    Details
    ISSN: 1600-5775
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Wavelength normalization is an essential part of processing of Laue X-ray diffraction data and is critically important for deriving accurate structure-factor amplitudes. The results of wavelength normalization for Laue data obtained in nanosecond time-resolved experiments at the ID09 beamline at the European Synchrotron Radiation Facility, Grenoble, France, are presented. Several wiggler and undulator insertion devices with complex spectra were used. The results show that even in the most challenging cases, such as wiggler/undulator tandems or single-line undulators, accurate wavelength normalization does not require unusually redundant Laue data and can be accomplished using typical Laue data sets. Single-line undulator spectra derived from Laue data compare well with the measured incident X-ray spectra. Successful wavelength normalization of the undulator data was also confirmed by the observed signal in nanosecond time-resolved experiments. Single-line undulators, which are attractive for time-resolved experiments due to their high peak intensity and low polychromatic background, are compared with wigglers, based on data obtained on the same crystal.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0909049500004672
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  • 3
    Electronic Resource
    Electronic Resource
    The cyclic vanadylacetate (C24H20P)[V4O8(C2H3O2)4(NO3)] (2000)
    Oxford [u.a.] : International Union of Crystallography (IUCr)
    Acta crystallographica 56 (2000), S. 33-34 
    Details
    ISSN: 1600-5759
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: In the title complex, tetraphenylphosphonium μ4-nitrato-κ4O-cyclo-tetrakis(μ-acetato-O:O′)tetra-μ-oxo-tetrakis[oxovana-dium(V)], the anion lies about a twofold axis and consists of the cyclic [V4O8] unit coordinated by four acetato ligands with interatomic V...V distances of 3.269 (1) and 3.273 (1) Å. The double-bonded O atom [N=O 1.102 (6) and N—O 1.268 (4) Å] of the nitrato ligand links the four V atoms with V—O bond distances of 2.613 (2) and 2.813 (2) Å. The negative charge of the complex is balanced by tetraphenylphosphonium cations occupying the Na positions in the NaCl-type ionic packing of the structure.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108270199012214
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